2-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-[(4-hydroxy-3-methoxy-phenyl)methylamino]-6-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-6-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-6-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 6-keto-2-(vanillylamino)-1H-pyrimidine-5-carboxylic acid Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=NC=C(C(=O)N2)C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=NC=C(C(=O)N2)C(=O)O)O

InChI

InChI=1S/C13H13N3O5/c1-21-10-4-7(2-3-9(10)17)5-14-13-15-6-8(12(19)20)11(18)16-13/h2-4,6,17H,5H2,1H3,(H,19,20)(H2,14,15,16,18)